N-(3-fluoranyl-4-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H19FN4O2S MolecularWeight: 374.432463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C18H19FN4O2S/c1-13-2-3-14(12-17(13)19)20-18(26)22-10-8-21(9-11-22)15-4-6-16(7-5-15)23(24)25/h2-7,12H,8-11H2,1H3,(H,20,26)